Materials Data on Rb4V2O9 by Materials Project

Abstract

Rb4V2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.42 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.34 Å. V is bonded to four O atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.70–1.84 Å. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to four Rb and two equivalent V atoms. In the second O site, O is bonded in a distorted single-bond geometry to four Rb and one V atom. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one V atom. In the fifth O site, O is bonded in a 2-coordinate geometry to three Rb atoms.